SCHEMBL2835430

SCHEMBL2835430

C=C[C@H]1CC[C@H]2[C@@H]3CC(O)c4cc(O)ccc4[C@H]3CC[C@]12C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.73
LMNA P02545 4/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
MAPK1 P28482 2/20 0.73
CYP19A1 P11511 9/20 0.58
ESR2 Q92731 4/20 0.53
HSD17B10 Q99714 3/20 0.48
TSHR P16473 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SLC22A1 O15245 1/20 0.48
AKR1B10 O60218 1/20 0.48
SLC22A3 O75751 1/20 0.48
ABCB11 O95342 1/20 0.48
ESRRB O95718 1/20 0.48
ALDH1A1 P00352 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1271528 0.84 ESR1 (1.00) ESR1LMNASMN1; SMN2MAPK1CYP19A1
SCHEMBL6064527 0.84 ESR1 (1.00) ESR1LMNASMN1; SMN2MAPK1CYP19A1
SCHEMBL13270171 0.84 ESR1 (1.00) ESR1LMNASMN1; SMN2MAPK1CYP19A1
SCHEMBL1271527 0.84 ESR1 (1.00) ESR1LMNASMN1; SMN2MAPK1CYP19A1
SCHEMBL1332731 0.84 ESR1 (1.00) ESR1LMNASMN1; SMN2MAPK1CYP19A1
SCHEMBL2833765 0.81 ESR1 (0.74) ESR1LMNASMN1; SMN2MAPK1CYP19A1
SCHEMBL6898066 0.81 ESR1 (0.71) ESR1LMNASMN1; SMN2MAPK1CYP19A1
SCHEMBL6064623 0.80 ESR1 (0.73) ESR1LMNASMN1; SMN2MAPK1CYP19A1
SCHEMBL6064626 0.80 ESR1 (0.73) ESR1LMNASMN1; SMN2MAPK1CYP19A1
SCHEMBL2835911 0.80 ESR1 (0.73) ESR1LMNASMN1; SMN2MAPK1CYP19A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242619-B1 BEHAVIORAL OR PHYSIOLOGICAL RESPONSE, REDUCTION OF NEGATIVE AFFECT, MOOD, AND CHARACTER TRAITS; NASAL ADMINISTRATION OF VOMEROPHERINS OR PHEROMONES, NERVOUS SYSTEM DRUG MODE PHERIN PHARMACEUTICALS, INC. 2001-06-05 US claimed
US-20100111896-A1 Items Containing A Human Pheromone Component MARENBERG BARRY J 2010-05-06 US disclosed